[7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C20H26F2N2O3 — CID 164710364

About [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710364) has the molecular formula C20H26F2N2O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 164710364
• Molecular Formula: C20H26F2N2O3
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.19
• IUPAC Name: [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C(F)F)cn4)CC3)C2)C1
• InChI: InChI=1S/C20H26F2N2O3/c1-19(26)8-14(9-19)18(25)24-11-20(12-24)6-4-15(5-7-20)27-16-3-2-13(10-23-16)17(21)22/h2-3,10,14-15,17,26H,4-9,11-12H2,1H3
• InChIKey: QWLKHHHSAJIIOC-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710364) is [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C(F)F)cn4)CC3)C2)C1.

What is the InChIKey of [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is QWLKHHHSAJIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O3/c1-19(26)8-14(9-19)18(25)24-11-20(12-24)6-4-15(5-7-20)27-16-3-2-13(10-23-16)17(21)22/h2-3,10,14-15,17,26H,4-9,11-12H2,1H3.

What are the key properties of [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 380.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).